methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate

C27H23ClFN3O2 — CID 67041966

IUPACmethyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N3CCC(c4ccc(Cl)cc4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23ClFN3O2/c1-34-27(33)20-6-11-23-24(16-20)30-25(19-4-9-22(29)10-5-19)26(31-23)32-14-12-18(13-15-32)17-2-7-21(28)8-3-17/h2-11,16,18H,12-15H2,1H3
InChIKeyVXNGLZUVYYJJRR-UHFFFAOYSA-N
MW475.95 g/mol
LogP6.26
Rot. Bonds4

About methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate

methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate (PubChem CID 67041966) has the molecular formula C27H23ClFN3O2 and a molecular weight of 475.95 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate
PubChem CID67041966
Molecular FormulaC27H23ClFN3O2
Molecular Weight475.95 g/mol
Exact Mass475.15
IUPAC Namemethyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(N3CCC(c4ccc(Cl)cc4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23ClFN3O2/c1-34-27(33)20-6-11-23-24(16-20)30-25(19-4-9-22(29)10-5-19)26(31-23)32-14-12-18(13-15-32)17-2-7-21(28)8-3-17/h2-11,16,18H,12-15H2,1H3
InChIKeyVXNGLZUVYYJJRR-UHFFFAOYSA-N
XLogP6.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate (CID 67041966) is methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(N3CCC(c4ccc(Cl)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate?
The InChIKey is VXNGLZUVYYJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O2/c1-34-27(33)20-6-11-23-24(16-20)30-25(19-4-9-22(29)10-5-19)26(31-23)32-14-12-18(13-15-32)17-2-7-21(28)8-3-17/h2-11,16,18H,12-15H2,1H3.
What are the key properties of methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate?
methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate has a molecular weight of 475.95 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenyl)piperidin-1-yl]-3-(4-fluorophenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 67041966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).